SCHEMBL1151670

SCHEMBL1151670

CC(C)(C)OC(=O)NC(C)(C)C(=O)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.41
GAA P10253 1/20 0.41
CYP19A1 P11511 1/20 0.40
CACNA1B Q00975 5/20 0.39
BTK Q06187 1/20 0.39
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
PDE4B Q07343 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24325888 0.86 KAT2B (0.37) EPHX1GAABTKSMN1; SMN2CTSS
SCHEMBL24325590 0.86 MAPT (0.40) EPHX1GAACYP19A1CACNA1BBTK
SCHEMBL25272660 0.83 SCN9A (0.32) EPHX1GAABTKCTSK
SCHEMBL24325886 0.83 SCN9A (0.32) EPHX1GAABTKCTSK
SCHEMBL24326572 0.82 KMT2A (0.48) EPHX1CACNA1BBTKMEN1KMT2A
SCHEMBL25273708 0.82 KMT2A (0.48) EPHX1CACNA1BBTKMEN1KMT2A
SCHEMBL2252762 0.79 EPHX1 (0.39) EPHX1GAACYP19A1CACNA1BBTK
SCHEMBL2252759 0.79 EPHX1 (0.39) EPHX1GAACYP19A1CACNA1BBTK
SCHEMBL4655488 0.79 CACNA1B (0.43) EPHX1GAACYP19A1CACNA1BBTK
SCHEMBL24325601 0.78 BTK (0.33) BTKMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-9636409-B2 Enzyme and receptor modulation using covalent conjugates of alpha,alpha-disubstituted glycine esters GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-05-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE IP DEV LTD (GB) 2016-06-02 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-8778953-B2 Inhibitors of P38 map kinase CHROMA THERAPEUTICS LTD. (GB) 2014-07-15 US disclosed
US-20140155439-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-05 US disclosed
US-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2011-02-24 US disclosed
US-20110034520-A1 Inhibitors of P38 Map Kinase MACROPHAGE PHARMA LIMITED (GB) 2011-02-10 US disclosed
US-20110034520-A1 Inhibitors of P38 Map Kinase MACROPHAGE PHARMA LIMITED (GB) 2011-02-10 US disclosed
US-20110034520-A1 Inhibitors of P38 Map Kinase MACROPHAGE PHARMA LIMITED (GB) 2011-02-10 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 US disclosed
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION c/o Chroma Therapeutics Ltd. (GB) 2010-12-16 US disclosed
WO-2009141575-A1 INHIBITORS OF PLK CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 WO disclosed
WO-2009130475-A1 SUBSTITUTED THIOPHENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS CHROMA THERAPEUTICS LTD., (GB) 2009-10-29 WO disclosed
WO-2009106848-A2 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2009-09-03 WO disclosed
WO-2009106844-A1 INHIBITORS OF P38 MAP KINASE CHROMA THERAPEUTICS LTD. (GB) 2009-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110046210-A1 SUBSTITUTED THIOPENECARBOXAMIDES AS IKK-BETA SERINE-, THREONINE-PROTEIN KINASE INHIBITORS IKBKE, CSNK1A1, CSNK1E EPHX1 868/4885GAA 3104/4885CYP19A1 1390/4885
US-20140155439-A1 ENZYME INHIBITORS HDAC4, HDAC1, HDAC3 EPHX1 1882/4885GAA 1520/4885CYP19A1 577/4885
US-20110034520-A1 Inhibitors of P38 Map Kinase MAPK3, MAPK1, MAPKAPK3 EPHX1 656/4885GAA 3189/4885CYP19A1 1233/4885
US-20160151509-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 EPHX1 166/4885GAA 121/4885CYP19A1 612/4885
US-20100317865-A1 ENZYME AND RECEPTOR MODULATION CES1, GLRB, GLRA1 EPHX1 166/4885GAA 121/4885CYP19A1 612/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.